(Z,3Z)-1-(dimethylamino)-3-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]prop-1-en-1-ol

C13H20N2O — CID 134965716

IUPAC(Z,3Z)-1-(dimethylamino)-3-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]prop-1-en-1-ol
SMILESCN(C)CC1=CC=C/C1=C/C=C(\O)N(C)C
InChIInChI=1S/C13H20N2O/c1-14(2)10-12-7-5-6-11(12)8-9-13(16)15(3)4/h5-9,16H,10H2,1-4H3/b11-8-,13-9-
InChIKeyDNTWLCUMCVGNFC-PHRMNRNWSA-N
MW220.32 g/mol
LogP1.93
Rot. Bonds4

About (Z,3Z)-1-(dimethylamino)-3-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]prop-1-en-1-ol

(Z,3Z)-1-(dimethylamino)-3-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]prop-1-en-1-ol (PubChem CID 134965716) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (Z,3Z)-1-(dimethylamino)-3-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]prop-1-en-1-ol.

Molecular Properties

Compound Name(Z,3Z)-1-(dimethylamino)-3-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]prop-1-en-1-ol
PubChem CID134965716
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(Z,3Z)-1-(dimethylamino)-3-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]prop-1-en-1-ol
SMILESCN(C)CC1=CC=C/C1=C/C=C(\O)N(C)C
InChIInChI=1S/C13H20N2O/c1-14(2)10-12-7-5-6-11(12)8-9-13(16)15(3)4/h5-9,16H,10H2,1-4H3/b11-8-,13-9-
InChIKeyDNTWLCUMCVGNFC-PHRMNRNWSA-N
XLogP1.93
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze (Z,3Z)-1-(dimethylamino)-3-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]prop-1-en-1-ol with MolForge

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Related Compounds

(Z,3Z)-1-(dimethylamino)-3-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]prop-1-en-1-olate
CID 134965715
(1Z)-1-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]propan-1-olate
CID 134966484
(2E,4Z)-5-(1,4-dimethyl-2,3-dihydropyrrol-5-yl)penta-2,4-dien-2-ol
CID 143911361
(E,4Z)-4-(1,2-dimethyl-2H-pyrrol-3-ylidene)but-2-en-2-ol
CID 156080756
[2-[(Dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]methanol
CID 73169110
(1Z)-1-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]propan-1-ol
CID 134966485
Amino-[2-[2-(dimethylamino)ethyl]cyclopenta-2,4-dien-1-ylidene]methanol
CID 175808912

Frequently Asked Questions

What is the IUPAC name of (Z,3Z)-1-(dimethylamino)-3-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]prop-1-en-1-ol?
The IUPAC name of (Z,3Z)-1-(dimethylamino)-3-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]prop-1-en-1-ol (CID 134965716) is (Z,3Z)-1-(dimethylamino)-3-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]prop-1-en-1-ol.
What is the SMILES notation for (Z,3Z)-1-(dimethylamino)-3-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]prop-1-en-1-ol?
The canonical SMILES for (Z,3Z)-1-(dimethylamino)-3-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]prop-1-en-1-ol is CN(C)CC1=CC=C/C1=C/C=C(\O)N(C)C.
What is the InChIKey of (Z,3Z)-1-(dimethylamino)-3-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]prop-1-en-1-ol?
The InChIKey is DNTWLCUMCVGNFC-PHRMNRNWSA-N. The full InChI is InChI=1S/C13H20N2O/c1-14(2)10-12-7-5-6-11(12)8-9-13(16)15(3)4/h5-9,16H,10H2,1-4H3/b11-8-,13-9-.
What are the key properties of (Z,3Z)-1-(dimethylamino)-3-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]prop-1-en-1-ol?
(Z,3Z)-1-(dimethylamino)-3-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]prop-1-en-1-ol has a molecular weight of 220.32 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3Z)-1-(dimethylamino)-3-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]prop-1-en-1-ol is sourced from PubChem (CID 134965716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).